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Lanreotide

CAT: 1596-AR-L01129-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
108736-35-2
Synonyms
(4R,7S,10S,13R,16S,19R) -13- ((1H-indol-3-yl) methyl) -19- ((R) -2-amino-3- (naphthalen-2-yl) propanamido) -N- ((2S,3R) -1-amino-3-hydroxy-1-oxobutan-2-yl) -10- (4-aminobutyl) -16- (4-hydroxybenzyl) -7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide; 3- (2-Naphthalenyl) -D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2?7) -disulfide L-Threoninamide Acetate; 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane, cyclic peptide deriv. Acetate; BIM 23014C Acetate; Somatulina Acetate; Somatuline Acetate
Molecular Formula
C54H69N11O10S2
Molecular Weight
1096.33
API Name
Lanreotide

Chemical Information

Lanreotide

Lanreotide is a drug employed in the management of acromegaly (a hormonal condition caused by excess growth hormone) in addition to symptoms caused by neuroendocrine tumors, especially carcinoid syndrome. This drug is a long-acting analog of the drug somatostatin, a growth hormone inhibitor. Lanreotide is manufactured by the company, Ipsen Pharmaceuticals as lanreotide acetate, and marketed as Somatuline. It is approved in several countries worldwide, including the United Kingdom, Australia, and Canada. Lanreotide was first approved for use in the United States by the FDA on August 30, 2007.

CAS Number108736-35-2
PubChem CID6918011
IUPAC Name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular FormulaC54H69N11O10S2
Molecular Weight1096.3
XLogP2.5
Topological Polar Surface Area406
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count77
Formal Charge0
Complexity2000
SMILES
C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)O
InChI
InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
InChIKey
PUDHBTGHUJUUFI-SCTWWAJVSA-N
Chemical Structure
2D Structure
2D structure of Lanreotide
CAS: 108736-35-2
CID: 6918011
Formula: C54H69N11O10S2
MW: 1096.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1096.3
XLogP32.5
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass1095.46702979
Monoisotopic Mass1095.46702979
Topological Polar Surface Area406 Ų
Heavy Atom Count77
Formal Charge0
Complexity2000
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
PT_41366-01Lanreotide (Lanreotide)
4067760.0001Lanreotide
CFA98474-01Lanreotide acetate
HY-P1959A-01Lanreotide (acetate)

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